Structure Information
Structure

Compound Identification

SMILES

CCC1=C2C=C(O)C=CC2=NC2=C1CN1C2=CC(=C(CO)C1=O)[C@@](O)(CC)C(O)=O

InChIKey

InChIKey=IRKZFHZUIBLGKU-QFIPXVFZSA-N

Formula

C22H22N2O6

Mass

410.426

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Alkaloids and derivatives

Class

Camptothecins

Subclass

Not available

Intermediate Tree Nodes

Not available

Direct Parent

Camptothecins

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Camptothecin - Hydroxyquinoline - Quinoline - 1-hydroxy-2-unsubstituted benzenoid - Pyridinone - Alpha-hydroxy acid - Hydroxy acid - Pyridine - Benzenoid - Heteroaromatic compound - Tertiary alcohol - Lactam - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Organonitrogen compound - Carbonyl group - Aromatic alcohol - Organic oxygen compound - Alcohol - Organic nitrogen compound - Hydrocarbon derivative - Organooxygen compound - Primary alcohol - Organopnictogen compound - Organic oxide - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as camptothecins. These are heterocyclic compounds comprising a planar pentacyclic ring structure, that includes a pyrrolo[3,4-beta]-quinoline moiety (rings A, B and C), conjugated pyridone moiety (ring D) and one chiral center at position 20 within the alpha-hydroxy lactone ring with (S) configuration (the E-ring).

External Descriptors

Not available

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